2-[2-cyanoethyl-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]amino]ethyl ethanoate

Systemtic Name: 2-[2-cyanoethyl-[4-[(2,4-dinitrophenyl)diazenyl]phenyl]amino]ethyl ethanoate Openeye Name: 2-[N-(2-cyanoethyl)-4-(2,4-dinitrophenyl)azo-anilino]ethyl acetate CAS Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2,4-dinitrophenyl)azoanilino]ethyl ester IUPAC Name: 2-[N-(2-cyanoethyl)-4-[(2,4-dinitrophenyl)diazenyl]anilino]ethyl acetate Traditional Name: acetic acid 2-[N-(2-cyanoethyl)-4-(2,4-dinitrophenyl)azo-anilino]ethyl ester Formula: C19H18N6O6 MolecularWeight: 426.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O6/c1-14(26)31-12-11-23(10-2-9-20)16-5-3-15(4-6-16)21-22-18-8-7-17(24(27)28)13-19(18)25(29)30/h3-8,13H,2,10-12H2,1H3